LaNd2(HoSe2)3
Alexandria ALEXAlex-ID: agm036629199 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
NdHoSe2 La2Ho3Se5 La2Nd3Se5
2025-01-25 03:58:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036629199).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm036629199
data_agm036629199
_cell_length_a 7.13016
_cell_length_b 7.13016
_cell_length_c 7.33653
_cell_angle_alpha 80.68842
_cell_angle_beta 99.31158
_cell_angle_gamma 59.74237
_cell_volume 304.69572
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.33244 0.33244 0.50000 1.00000
Nd2 Nd 0.66756 0.66756 0.50000 1.00000
Ho1 Ho 0.16668 0.16668 0.00000 1.00000
Ho2 Ho 0.83332 0.83332 0.00000 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.42484 0.91018 0.76831 1.00000
Se2 Se 0.24631 0.75369 0.23273 1.00000
Se3 Se 0.57516 0.08982 0.23169 1.00000
Se4 Se 0.08982 0.57516 0.76831 1.00000
Se5 Se 0.75369 0.24631 0.76727 1.00000
Se6 Se 0.91018 0.42484 0.23169 1.00000
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